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7031-23-4

3-甲硫基丙酰氯(7031-23-4)质谱(MS)

产品名称:3-甲硫基丙酰氯

CAS:7031-23-4

分子式:C4H7ClOS

分子量: 138.62

InChI:InChI=1S/C4H7ClOS/c1-7-3-2-4(5)6/h2-3H2,1H3

InChIKey: NRHMXMBVLXSSAX-UHFFFAOYSA-N

Smiles:C(Cl)(=O)CCSC

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    Mass

    MS-IW-9175          
    3-(methylthio)propionyl chloride
    C4H7ClOS            (Mass of molecular ion:    138)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.1
          25.0       1.4
          26.0       8.4
          27.0      46.6
          28.0       9.2
          29.0       1.7
          32.0       1.3
          35.0       8.8
          36.0      11.8
          37.0       1.2
          38.0       4.1
          39.0       1.4
          41.0      10.9
          42.0       1.5
          44.0       2.2
          45.0      23.2
          46.0      11.0
          47.0      25.0
          48.0       8.1
          49.0       5.6
          51.5       1.2
          53.0       1.5
          54.0       1.2
          55.0     100.0
          56.0       4.4
          57.0       2.8
          58.0       6.1
          59.0      11.1
          60.0       2.7
          61.0      55.0
          62.0       2.1
          63.0       7.1
          65.0       1.6
          73.0       1.5
          74.0      11.7
          75.0      32.3
          76.0       2.1
          77.0       1.5
          82.0       1.6
          91.0       2.0
          95.0       1.6
         101.0       1.0
         102.0      33.8
         103.0       8.3
         104.0       2.0
         138.0      22.8
         139.0       1.2
         140.0       8.3
         150.0       1.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C4 H7 Cl O S 0.05 ml : 0.5 ml CDCl3
    3-(methylthio)propionyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.210 B 2.817 C 2.155

         Hz     ppm     Int.
    

       1289.92   3.228    556
       1286.25   3.219     59
       1282.84   3.210   1000
       1278.69   3.200     53
       1275.63   3.192    641
       1133.06   2.836    138
       1126.22   2.819    205
       1119.51   2.802    117
        861.21   2.155    521
    

in CDCl3

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liquid film

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